N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide
TL;DR: N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide (CAS 98612-65-8) is a chemical compound with molecular formula C12H21IN2O and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]but-2-ynyl]azanium iodide
Also Known As: (S)-4-(2-Methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-2-butyn-1-aminium iodide, (S)-N-(4-(Dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidone methiodide, 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide, (S)-, N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide, (S)-N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide
| Molecular Formula | C12H21IN2O |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | -2.2891 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.06985 |
| Heavy Atoms | 16 |
| Complexity | 298.36618 |
Chemical Identifiers
| CAS Number | 98612-65-8 |
|---|---|
| SMILES | C[C@H]1CCC(=O)N1CC#CC[N+](C)(C)C.[I-] |
Product Overview
N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide (CAS 98612-65-8), with molecular formula C12H21IN2O and molecular weight 336.07 g/mol. IUPAC: trimethyl-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]but-2-ynyl]azanium iodide.
Chemical Property Profile of N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide
Property Insights of N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide
The XLogP value of -2.2891 indicates that N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.31 Ų, N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide?
The CAS number of N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide is 98612-65-8.
What is the molecular formula of N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide?
The molecular formula of N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide is C12H21IN2O.
What is the molecular weight of N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide?
The molecular weight of N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide is 336.07 g/mol.
Where can I buy N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide?
You can request a quote for N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.